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votca 2026-dev
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#include <bse_operator_uks.h>


Classes | |
| struct | SpinBlockInfo |
Public Member Functions | |
| BSE_OPERATOR_UKS (const Eigen::VectorXd &epsilon_0_inv, const TCMatrix_gwbse_spin &Mmn, const Eigen::MatrixXd &Hqp_alpha, const Eigen::MatrixXd &Hqp_beta) | |
| void | configure (BSEOperatorUKS_Options opt) |
| Eigen::VectorXd | diagonal () const override |
| Eigen::MatrixXd | matmul (const Eigen::MatrixXd &input) const override |
| Eigen::MatrixXd | dense_matrix () const |
| Public Member Functions inherited from votca::xtp::MatrixFreeOperator | |
| Index | rows () const |
| Index | cols () const |
| template<typename Vtype> | |
| Eigen::Product< MatrixFreeOperator, Vtype, Eigen::AliasFreeProduct > | operator* (const Eigen::MatrixBase< Vtype > &x) const |
| Index | size () const |
| void | set_size (Index size) |
Private Member Functions | |
| void | setup_block (SpinBlockInfo &blk, Index homo, Index offset) |
| Eigen::VectorXd | Hqp_row (const Eigen::MatrixXd &Hqp, const SpinBlockInfo &blk, Index v1, Index c1) const |
| void | add_qp_block (Eigen::MatrixXd &y, const Eigen::MatrixXd &x, const SpinBlockInfo &blk, const Eigen::MatrixXd &Hqp) const |
| void | add_exchange_block (Eigen::MatrixXd &y, const Eigen::MatrixXd &x, const SpinBlockInfo &out_blk, const SpinBlockInfo &in_blk, const TCMatrix_gwbse &Mout, const TCMatrix_gwbse &Min, double prefactor) const |
| void | add_direct_block (Eigen::MatrixXd &y, const Eigen::MatrixXd &x, const SpinBlockInfo &out_blk, const SpinBlockInfo &in_blk, const TCMatrix_gwbse &Mout, const TCMatrix_gwbse &Min, double prefactor) const |
| void | add_direct2_block (Eigen::MatrixXd &y, const Eigen::MatrixXd &x, const SpinBlockInfo &out_blk, const SpinBlockInfo &in_blk, const TCMatrix_gwbse &Mout, const TCMatrix_gwbse &Min, double prefactor) const |
| void | add_direct_cross_tda_block (Eigen::MatrixXd &y, const Eigen::MatrixXd &x, const SpinBlockInfo &out_blk, const SpinBlockInfo &in_blk, const TCMatrix_gwbse &Mout, const TCMatrix_gwbse &Min, double prefactor) const |
Private Attributes | |
| BSEOperatorUKS_Options | opt_ |
| SpinBlockInfo | alpha_ |
| SpinBlockInfo | beta_ |
| Index | size_total_ = 0 |
| const Eigen::VectorXd & | epsilon_0_inv_ |
| const TCMatrix_gwbse_spin & | Mmn_ |
| const Eigen::MatrixXd & | Hqp_alpha_ |
| const Eigen::MatrixXd & | Hqp_beta_ |
Additional Inherited Members | |
| Public Types inherited from votca::xtp::MatrixFreeOperator | |
| enum | { ColsAtCompileTime = Eigen::Dynamic , MaxColsAtCompileTime = Eigen::Dynamic , IsRowMajor = false } |
Definition at line 41 of file bse_operator_uks.h.
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inline |
Definition at line 43 of file bse_operator_uks.h.
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private |
Definition at line 138 of file bse_operator_uks.cc.
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private |
Definition at line 102 of file bse_operator_uks.cc.
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private |
Definition at line 175 of file bse_operator_uks.cc.
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private |
Definition at line 75 of file bse_operator_uks.cc.
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private |
Definition at line 58 of file bse_operator_uks.cc.
| void votca::xtp::BSE_OPERATOR_UKS< cqp, cx, cd, cd2 >::configure | ( | BSEOperatorUKS_Options | opt | ) |
Definition at line 38 of file bse_operator_uks.cc.
| Eigen::MatrixXd votca::xtp::BSE_OPERATOR_UKS< cqp, cx, cd, cd2 >::dense_matrix | ( | ) | const |
Definition at line 266 of file bse_operator_uks.cc.
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overridevirtual |
Implements votca::xtp::MatrixFreeOperator.
Definition at line 277 of file bse_operator_uks.cc.
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private |
Definition at line 47 of file bse_operator_uks.cc.
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overridevirtual |
Implements votca::xtp::MatrixFreeOperator.
Definition at line 214 of file bse_operator_uks.cc.
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private |
Definition at line 26 of file bse_operator_uks.cc.
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private |
Definition at line 70 of file bse_operator_uks.h.
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private |
Definition at line 71 of file bse_operator_uks.h.
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private |
Definition at line 75 of file bse_operator_uks.h.
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private |
Definition at line 77 of file bse_operator_uks.h.
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private |
Definition at line 78 of file bse_operator_uks.h.
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private |
Definition at line 76 of file bse_operator_uks.h.
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private |
Definition at line 69 of file bse_operator_uks.h.
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private |
Definition at line 73 of file bse_operator_uks.h.